2-[4-[2-(cyclohexen-1-yl)ethyl]piperazin-4-ium-1-yl]benzoate

Systemtic Name: 2-[4-[2-(cyclohexen-1-yl)ethyl]piperazin-4-ium-1-yl]benzoate Openeye Name: 2-[4-[2-(cyclohexen-1-yl)ethyl]piperazin-4-ium-1-yl]benzoate CAS Name: 2-[4-[2-(1-cyclohexenyl)ethyl]-1-piperazin-4-iumyl]benzoate IUPAC Name: 2-[4-[2-(cyclohexen-1-yl)ethyl]piperazin-4-ium-1-yl]benzoate Traditional Name: 2-[4-[2-(cyclohexen-1-yl)ethyl]piperazin-4-ium-1-yl]benzoate Formula: C19H26N2O2 MolecularWeight: 314.42194

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=CC1)CC[NH+]2CCN(CC2)C3=CC=CC=C3C(=O)[O-]

Isomeric SMILES

C1CCC(=CC1)CC[NH+]2CCN(CC2)C3=CC=CC=C3C(=O)[O-]

InChI

InChI=1S/C19H26N2O2/c22-19(23)17-8-4-5-9-18(17)21-14-12-20(13-15-21)11-10-16-6-2-1-3-7-16/h4-6,8-9H,1-3,7,10-15H2,(H,22,23)